Abstract
Objective This study aims to clarify the potential mechanism of modified Bu-Shen-Huo-Xue decoction (MBSHXD) in treating intervertebral disc degeneration (IDD) with methods of network pharmacology and molecular docking. Methods An MBSHXD and IDD-related common target gene set was established through TCMSP, UniProt, and two disease gene databases. GO and KEGG enrichment analysis and protein-protein interaction (PPI) networks were performed through the R platform and STRING to discover the potential mechanism. Molecular docking between the active ingredients and the core genes is used to calculate the binding energy. Results A total of 147 active ingredients and 79 common genes (including 10 core genes, TNF, VEGFA, IL6, MAPK3, AKT1, MAPK8, TP53, JUN, MMP9, and CXCL8) were identified. The results of GO and KEGG enrichment analysis showed that MBSHXD plays an essential role in regulating inflammation and oxidative stress. The meaningful pathways are the AGE-RAGE signaling pathway in diabetic complications, the IL-17 signaling pathway, the TNF signaling pathway, the PI3K-Akt signaling pathway, the MAPK signaling pathway, and apoptosis. In addition, the PPI network and molecular docking further demonstrated the roles that nine bioactive ingredients of MBSHXD play in IDD treatment through their interference with core target proteins. Conclusion This study reveals that MBSHXD has the characteristics of a “multi-component, multi-target, and multi-pathway” in the treatment of IDD by regulating inflammation and oxidative stress, and network pharmacology may provide a feasible method to verify the molecular mechanism of MBSHXD for IDD by combining with molecular docking.
Highlights
As a common symptom, low back pain is the leading cause of years living with disability [1]
A total of 147 active ingredients and 79 common genes were identified. e results of gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis showed that Modified Bu-Shen-Huo-Xue decoction (MBSHXD) plays an essential role in regulating inflammation and oxidative stress. e meaningful pathways are the AGE-RAGE signaling pathway in diabetic complications, the IL-17 signaling pathway, the TNF signaling pathway, the PI3K-Akt signaling pathway, the MAPK signaling pathway, and apoptosis
Conclusion. is study reveals that MBSHXD has the characteristics of a “multi-component, multi-target, and multi-pathway” in the treatment of intervertebral disc degeneration (IDD) by regulating inflammation and oxidative stress, and network pharmacology may provide a feasible method to verify the molecular mechanism of MBSHXD for IDD by combining with molecular docking
Summary
Low back pain is the leading cause of years living with disability [1]. Traditional Chinese medicine (TCM), as an essential branch of complementary and alternative medicine, has received increasing attention for its role in various diseases [3,4,5]. Recent studies have shown that MBSHXD may delay the progression of degenerative diseases of the musculoskeletal system, including osteoarthritis and IDD [6, 7]. Recent studies have confirmed that network pharmacology can help develop TCM applications for the treatment of other diseases or the development of new drugs [16,17,18,19] and provide biochemical principles to manage current pandemic diseases, such as COVID-19 [20]. Is study aims to clarify the potential mechanism of MBSHXD in the treatment of IDD.
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